Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromophenyl ester

InChI

InChI=1S/C13H12BrF3O4/c1-8(13(15,16)17)20-11(18)6-7-12(19)21-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3

InChI Key

IVBBZWKZTFQSRA-UHFFFAOYSA-N

Formula

C13H12BrF3O4

SMILES

CC(OC(=O)CCC(=O)Oc1ccc(Br)cc1)C(F)(F)F

Molecular Weight¹

369.13

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-876.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1152.22	kJ/mol	Joback Calculated Property
ΔfusH°	32.24	kJ/mol	Joback Calculated Property
ΔvapH°	68.08	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	3.629		Crippen Calculated Property
McVol	207.960	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	741.38	K	Joback Calculated Property
Tc	949.58	K	Joback Calculated Property
Tfus	468.52	K	Joback Calculated Property
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[551.00; 606.40]	J/mol×K	[741.38; 949.58]
Cp,gas	551.00	J/mol×K	741.38	Joback Calculated Property
Cp,gas	562.29	J/mol×K	776.08	Joback Calculated Property
Cp,gas	572.71	J/mol×K	810.78	Joback Calculated Property
Cp,gas	582.30	J/mol×K	845.48	Joback Calculated Property
Cp,gas	591.09	J/mol×K	880.18	Joback Calculated Property
Cp,gas	599.11	J/mol×K	914.88	Joback Calculated Property
Cp,gas	606.40	J/mol×K	949.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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